CID 3080517

128487-73-0

Structural Information

Molecular Formula
C14H24N2O3S2
SMILES
CC(C12CC3CC(C1)CC(C3)C2)N=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C14H24N2O3S2/c1-9(16-13(15)8-20-21(17,18)19)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-12H,2-8H2,1H3,(H2,15,16)(H,17,18,19)
InChIKey
UQSKJIVYECRURA-UHFFFAOYSA-N
Compound name
1-[1-[(1-amino-2-sulfosulfanylethylidene)amino]ethyl]adamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.12283 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13011 171.9
[M+Na]+ 355.11205 170.5
[M-H]- 331.11555 163.2
[M+NH4]+ 350.15665 191.4
[M+K]+ 371.08599 168.9
[M+H-H2O]+ 315.12009 168.7
[M+HCOO]- 377.12103 166.9
[M+CH3COO]- 391.13668 215.7
[M+Na-2H]- 353.09750 182.9
[M]+ 332.12228 175.3
[M]- 332.12338 175.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.